SCHEMBL369910

SCHEMBL369910

CN1CCN(c2cc(N3CCOCC3)cn3c(=O)c(OCc4ccccc4)c(C(=O)NCc4ccc(F)cc4)nc23)C(=O)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
CNR2 P34972 1/20 0.39
PSMD14 O00487 1/20 0.39
GRIA1 P42261 2/20 0.38
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HTT P42858 1/20 0.37
RECQL P46063 2/20 0.37
SCD O00767 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10070415 0.91 CNR2 (0.40) TP53CNR2PSMD14KDM4EALDH1A1
SCHEMBL367788 0.87 LMNA (0.40) TP53ALDH1A1HSD17B10SCDLMNA
SCHEMBL367914 0.87 PSMD14 (0.41) TP53CNR2PSMD14KDM4EALDH1A1
SCHEMBL368141 0.87 MRGPRX4 (0.42) KDM4EALDH1A1HPGDCASP1CASP7
SCHEMBL367233 0.86 TP53 (0.39) TP53ALDH1A1HSD17B10HTTLMNA
SCHEMBL369035 0.84 SCD (0.38) TP53ALDH1A1HSD17B10SCDLMNA
SCHEMBL367968 0.84 TP53 (0.42) TP53HTTLMNAMAPTNPSR1
SCHEMBL15092108 0.84 TP53 (0.40) TP53HTTSCDLMNAMAPT
SCHEMBL368701 0.83 TP53 (0.40) TP53HTTSCDLMNAMAPT
SCHEMBL1221548 0.83 MEN1 (0.35) TP53GRIA1KDM4EALDH1A1HPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130178469-A1 NOVEL ANTIVIRAL AGENTS SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY (SIOC) (CN) 2013-07-11 US disclosed
EP-2593460-A1 7, 9-NITROGEN RADICAL-4-OXO-4H-PYRIDO[L,2-A]PYRIMIDINE-2-CARBOXYLIC ACID BENZYLAMIDE ANTI-VIRALS Avexa Limited (AU) 2013-05-22 EP disclosed
WO-2012006680-A1 7, 9-NITROGEN RADICAL-4-OXO-4H-PYRIDO[L,2-A]PYRIMIDINE-2-CARBOXYLIC ACID BENZYLAMIDE ANTI-VIRALS AVEXA LIMITED (AU) 2012-01-19 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130178469-A1 NOVEL ANTIVIRAL AGENTS EIF2AK2, IFNAR1, IRF3 TP53 3404/4885CNR2 2917/4885PSMD14 3462/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.